(2-chloranyl-4-fluoranyl-phenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Openeye Name: (2-chloro-4-fluoro-phenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoic acid (2-chloro-4-fluorophenyl)methyl ester IUPAC Name: (2-chloro-4-fluorophenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butyric acid (2-chloro-4-fluoro-benzyl) ester Formula: C19H19ClFNO6S MolecularWeight: 443.873663

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCC(=O)OCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCC(=O)OCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C19H19ClFNO6S/c20-16-10-14(21)4-3-13(16)12-28-19(23)2-1-7-22-29(24,25)15-5-6-17-18(11-15)27-9-8-26-17/h3-6,10-11,22H,1-2,7-9,12H2